input word = C00056815

Metabolite InformationStructural formula
Name Neocycasin H
Formula C20H36N2O17
Mw 576.20139774
CAS RN 102770-23-0
C_ID C00056815
InChIKey ITVJRGCEZRNZNA-LGFYGHPPSA-N
InChICode InChI=1S/C20H36N2O17/c1-22(33)21-5-34-18-15(32)17(10(27)7(3-24)35-18)39-20-14(31)12(29)16(8(4-25)37-20)38-19-13(30)11(28)9(26)6(2-23)36-19/h6-20,23-32H,2-5H2,1H3/b22-21-/t6-,7-,8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,18-,19+,20+/m1/s1
SMILES O[C@H]1[C@H](O[C@H]([C@@H](CO)O2)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]([C@@H]3O)[C@@H](O)[C@H](OCN=N(C)=O)O[C@@H]3CO)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCycadaceaeCycas revoluta Ref.
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